Revision: | 2489 |
Committed: | Tue Dec 6 16:49:59 2005 UTC (18 years, 9 months ago) by tim |
File size: | 377 byte(s) |
Log Message: | remove deprecated keywords from samples |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2384 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | tim | 2489 | |
5 | gezelter | 2384 | component{ |
6 | type = "linear"; | ||
7 | nMol = 2; | ||
8 | } | ||
9 | |||
10 | |||
11 | initialConfig = "./2gb.in"; | ||
12 | |||
13 | ensemble = NVT; | ||
14 | targetTemp = 1; | ||
15 | tauThermostat = 1000; | ||
16 | forceField = "DUFF"; | ||
17 | |||
18 | cutoffRadius = 20.0; | ||
19 | switchingRadius = 18.0; | ||
20 | dt = 1.0; | ||
21 | runTime = 6e4; | ||
22 | useInitialTime = "false"; | ||
23 | useInitialExtendedSystemState = "false"; | ||
24 | |||
25 | thermalTime = 10; | ||
26 | sampleTime = 100; | ||
27 | statusTime = 1; |